SCHEMBL7499406

SCHEMBL7499406

O=[N+]([O-])c1ccc(-c2cc3c(N4CCc5ccccc54)ncnc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
CSF1R P07333 3/20 0.44
EGFR P00533 3/20 0.44
GSK3B P49841 1/20 0.43
PRMT5 O14744 5/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ROCK1 Q13464 1/20 0.40
KIT P10721 3/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7495627 0.94 SMN1; SMN2 (0.49) SMN1; SMN2HTTCSF1REGFRPRMT5
SCHEMBL7499713 0.87 RPS6KB1 (0.44) SMN1; SMN2HTTCSF1RROCK1KIT
SCHEMBL7496197 0.86 CSF1R (0.50) SMN1; SMN2HTTCSF1REGFRPRMT5
SCHEMBL7495997 0.82 KDM4E (0.57) SMN1; SMN2CSF1REGFRGSK3BPRMT5
SCHEMBL7495638 0.80 CSF1R (0.48) SMN1; SMN2CSF1REGFRPRMT5MAPT
SCHEMBL7494890 0.73 KIT (0.46) CSF1RKIT
SCHEMBL15503686 0.72 SMN1; SMN2 (1.00) SMN1; SMN2HTTCSF1REGFRGSK3B
SCHEMBL4729284 0.72 CSF1R (0.52) CSF1REGFRMAPTALDH1A1GAA
SCHEMBL4338065 0.72 CSF1R (0.52) HTTCSF1RMAPTALDH1A1NPC1
SCHEMBL20956996 0.70 MEN1 (0.60) SMN1; SMN2HTTGSK3BMAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888349-B1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2002-05-22 EP claimed
US-6140317-A AS INHIBITORS OF PROTEIN KINASES AND HAVE ANTITUMOUR ACTIVITY NOVARTIS AG (CH) 2000-10-31 US claimed
EP-0888349-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1999-01-07 EP claimed
WO-1997027199-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-07-31 WO claimed
EP-0888349-B1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2002-05-22 EP disclosed
US-6140317-A AS INHIBITORS OF PROTEIN KINASES AND HAVE ANTITUMOUR ACTIVITY NOVARTIS AG (CH) 2000-10-31 US disclosed
EP-0888349-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1999-01-07 EP disclosed
WO-1997027199-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-07-31 WO disclosed